2-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide

C7H16N4O3S — CID 104978269

IUPAC2-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide
SMILESCCC(NS(=O)(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C7H16N4O3S/c1-2-6(7(8)9-12)11-15(13,14)10-5-3-4-5/h5-6,10-12H,2-4H2,1H3,(H2,8,9)
InChIKeyGUDDYRQOHYIJOC-UHFFFAOYSA-N
MW236.30 g/mol
LogP-0.90
Rot. Bonds6

About 2-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide

2-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide (PubChem CID 104978269) has the molecular formula C7H16N4O3S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide
PubChem CID104978269
Molecular FormulaC7H16N4O3S
Molecular Weight236.30 g/mol
Exact Mass236.09
IUPAC Name2-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide
SMILESCCC(NS(=O)(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C7H16N4O3S/c1-2-6(7(8)9-12)11-15(13,14)10-5-3-4-5/h5-6,10-12H,2-4H2,1H3,(H2,8,9)
InChIKeyGUDDYRQOHYIJOC-UHFFFAOYSA-N
XLogP-0.90
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 113637605
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide
CID 54947205
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453639
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 61453640
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 61453718
3-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 76934632
N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 76934729
N'-hydroxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 76953165
2-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide
CID 77038497
2-cyclopropyl-2-(dimethylsulfamoylamino)-N'-hydroxyethanimidamide
CID 77038979
3-[cyclopropylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide
CID 104978248
2-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978262

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide (CID 104978269) is 2-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide is CCC(NS(=O)(=O)NC1CC1)C(N)=NO.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide?
The InChIKey is GUDDYRQOHYIJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O3S/c1-2-6(7(8)9-12)11-15(13,14)10-5-3-4-5/h5-6,10-12H,2-4H2,1H3,(H2,8,9).
What are the key properties of 2-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide?
2-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide has a molecular weight of 236.30 g/mol, XLogP of -0.90, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 104978269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).